1-ethyl-N-[(4-methoxyphenyl)methyl]benzimidazol-2-amine

C17H19N3O — CID 1087008

IUPAC1-ethyl-N-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
SMILESCCn1c(NCc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C17H19N3O/c1-3-20-16-7-5-4-6-15(16)19-17(20)18-12-13-8-10-14(21-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyASRWESSLJNDBFK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.68
Rot. Bonds5

About 1-ethyl-N-[(4-methoxyphenyl)methyl]benzimidazol-2-amine

1-ethyl-N-[(4-methoxyphenyl)methyl]benzimidazol-2-amine (PubChem CID 1087008) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-ethyl-N-[(4-methoxyphenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-N-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
PubChem CID1087008
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-ethyl-N-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
SMILESCCn1c(NCc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C17H19N3O/c1-3-20-16-7-5-4-6-15(16)19-17(20)18-12-13-8-10-14(21-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyASRWESSLJNDBFK-UHFFFAOYSA-N
XLogP3.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-methoxyphenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-ethyl-N-[(4-methoxyphenyl)methyl]benzimidazol-2-amine (CID 1087008) is 1-ethyl-N-[(4-methoxyphenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-ethyl-N-[(4-methoxyphenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-ethyl-N-[(4-methoxyphenyl)methyl]benzimidazol-2-amine is CCn1c(NCc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 1-ethyl-N-[(4-methoxyphenyl)methyl]benzimidazol-2-amine?
The InChIKey is ASRWESSLJNDBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-20-16-7-5-4-6-15(16)19-17(20)18-12-13-8-10-14(21-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,18,19).
What are the key properties of 1-ethyl-N-[(4-methoxyphenyl)methyl]benzimidazol-2-amine?
1-ethyl-N-[(4-methoxyphenyl)methyl]benzimidazol-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-methoxyphenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 1087008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).